methyl 3-nitro-2-(pentanoylamino)benzoate

Systemtic Name: methyl 3-nitro-2-(pentanoylamino)benzoate Openeye Name: methyl 3-nitro-2-(pentanoylamino)benzoate CAS Name: 3-nitro-2-(1-oxopentylamino)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-2-(pentanoylamino)benzoate Traditional Name: 3-nitro-2-(valerylamino)benzoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H16N2O5/c1-3-4-8-11(16)14-12-9(13(17)20-2)6-5-7-10(12)15(18)19/h5-7H,3-4,8H2,1-2H3,(H,14,16)